UCSF

ZINC00002027

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

CAS Number: 20788-07-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 -4.39 -10.77 3 4 0 69 308.131 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0164927A2; EP0333311A1; EP0333311B1; EP0398663A1; US4642230; US5001115 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )